1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine

C10H13NO3 — CID 82710463

IUPAC1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
SMILESCCONCc1cccc2c1OCO2
InChIInChI=1S/C10H13NO3/c1-2-14-11-6-8-4-3-5-9-10(8)13-7-12-9/h3-5,11H,2,6-7H2,1H3
InChIKeyKUSFBFWJLLFPLL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.46
Rot. Bonds4

About 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine

1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine (PubChem CID 82710463) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
PubChem CID82710463
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
SMILESCCONCc1cccc2c1OCO2
InChIInChI=1S/C10H13NO3/c1-2-14-11-6-8-4-3-5-9-10(8)13-7-12-9/h3-5,11H,2,6-7H2,1H3
InChIKeyKUSFBFWJLLFPLL-UHFFFAOYSA-N
XLogP1.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
CID 47372906
N-(1,3-benzodioxol-4-ylmethyl)-1-methylcyclopent-3-en-1-amine
CID 167922399
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
3-(1,3-benzodioxol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 114155406
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
N-(1,3-benzodioxol-4-ylmethyl)-1-phenylpropan-1-amine
CID 61213022
N-(1,3-benzodioxol-4-ylmethyl)-4-propylaniline
CID 43583678
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine (CID 82710463) is 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine is CCONCc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine?
The InChIKey is KUSFBFWJLLFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-11-6-8-4-3-5-9-10(8)13-7-12-9/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine?
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine has a molecular weight of 195.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine is sourced from PubChem (CID 82710463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).